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4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, 1,4,5,8-tetrahydro-.alpha.-(2-methylpropyl)-9,11-dioxo-, methyl ester, (S)-
SpectraBase Compound ID Ezmx5FDIhkP
InChI InChI=1S/C19H25NO4/c1-13(2)12-14(15(21)24-3)20-16(22)18-8-4-5-9-19(18,17(20)23)11-7-6-10-18/h4-7,13-14H,8-12H2,1-3H3
InChIKey OSZOVVBRWIGUMC-UHFFFAOYSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85zJYriYR3Z
Name 4a,8a-(Methaniminomethano)naphthalene-10-acetic acid, 1,4,5,8-tetrahydro-.alpha.-(2-methylpropyl)-9,11-dioxo-, methyl ester, (S)-
Alternate Name(s) Methyl 11',13'-dioxo-12'-aza[4.4.3]propella-3',8'-diene-12'-(2S)-4-methylpentanoate Methyl 2-{11,13-dioxo-12-azatricyclo[4.4.3.0(1,6)]trideca-3,8-dien-12-yl}-4-methylpentanoate
CAS Registry Number 78388-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-13(2)12-14(15(21)24-3)20-16(22)18-8-4-5-9-19(18,17(20)23)11-7-6-10-18/h4-7,13-14H,8-12H2,1-3H3
InChIKey OSZOVVBRWIGUMC-UHFFFAOYSA-N
Molecular Weight 331.412 g/mol
SMILES C1(N(C(C23CC=CCC12CC=CC3)=O)C(C(=O)OC)CC(C)C)=O
SPLASH splash10-00pi-0490000000-4eefb18300506510f8cd
Source of Spectrum F-37-158-0
Wiley ID 1328750